Combinatorial Reaction Enumeration (beta)

Manipulator

This node generates reactions by the specified reaction pattern and the input molecules. See the examples for more details.

Supported types:

  • Query reaction: String, Rxn, Smiles, SMARTS

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Type: Data Table with a single query reaction.
  2. Type: Data First molecules set
  3. Type: Data Optional second molecules set

Output Ports

  1. Type: Data Reactions generated by the specified reaction pattern and the input molecules

Find here

Community Nodes > Indigo 2 > Combinatorial Chemistry

Make sure to have this extension installed: